16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one

C19H16O — CID 102428208

IUPAC16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one
SMILESCC(C)=C1C(=O)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C19H16O/c1-11(2)16-17-12-7-3-5-9-14(12)18(19(16)20)15-10-6-4-8-13(15)17/h3-10,17-18H,1-2H3
InChIKeyITRHGHJIDGUCSL-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.18
Rot. Bonds

About 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one

16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one (PubChem CID 102428208) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one.

Molecular Properties

Compound Name16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one
PubChem CID102428208
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one
SMILESCC(C)=C1C(=O)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C19H16O/c1-11(2)16-17-12-7-3-5-9-14(12)18(19(16)20)15-10-6-4-8-13(15)17/h3-10,17-18H,1-2H3
InChIKeyITRHGHJIDGUCSL-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one?
The IUPAC name of 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one (CID 102428208) is 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one.
What is the SMILES notation for 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one?
The canonical SMILES for 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one is CC(C)=C1C(=O)C2c3ccccc3C1c1ccccc12.
What is the InChIKey of 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one?
The InChIKey is ITRHGHJIDGUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-11(2)16-17-12-7-3-5-9-14(12)18(19(16)20)15-10-6-4-8-13(15)17/h3-10,17-18H,1-2H3.
What are the key properties of 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one?
16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one has a molecular weight of 260.34 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-propan-2-ylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-one is sourced from PubChem (CID 102428208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).